(4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane

C8H10ClO4PS — CID 158742108

IUPAC(4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCOc1cc(Cl)ccc1OP(O)(O)=S
InChIInChI=1S/C8H10ClO4PS/c1-2-12-8-5-6(9)3-4-7(8)13-14(10,11)15/h3-5H,2H2,1H3,(H2,10,11,15)
InChIKeyIMKQWMTWUSUYIC-UHFFFAOYSA-N
MW268.66 g/mol
LogP2.33
Rot. Bonds4

About (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane

(4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 158742108) has the molecular formula C8H10ClO4PS and a molecular weight of 268.66 g/mol. Its IUPAC name is (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID158742108
Molecular FormulaC8H10ClO4PS
Molecular Weight268.66 g/mol
Exact Mass267.97
IUPAC Name(4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCOc1cc(Cl)ccc1OP(O)(O)=S
InChIInChI=1S/C8H10ClO4PS/c1-2-12-8-5-6(9)3-4-7(8)13-14(10,11)15/h3-5H,2H2,1H3,(H2,10,11,15)
InChIKeyIMKQWMTWUSUYIC-UHFFFAOYSA-N
XLogP2.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane (CID 158742108) is (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane is CCOc1cc(Cl)ccc1OP(O)(O)=S.
What is the InChIKey of (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is IMKQWMTWUSUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClO4PS/c1-2-12-8-5-6(9)3-4-7(8)13-14(10,11)15/h3-5H,2H2,1H3,(H2,10,11,15).
What are the key properties of (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane?
(4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 268.66 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-ethoxyphenoxy)-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 158742108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).